4-(Bis(p-tolyl)amino)benzaldehyde

HCID 170701

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 42906-19-4
표준 SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1
InChIKey: XCGLXUJEPIVZJM-UHFFFAOYSA-N
분자식: C21H19NO
평균 분자량: 301.4 g/mol
단동위원소 질량: 301.14666423

이름 및 식별자

우선 이름: 4-(Bis(p-tolyl)amino)benzaldehyde
IUPAC: 4-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde
영어명: 4-Di-p-tolylamino-benzaldehyde
분자식: C21H19NO
분자량: 301.38

이름 및 동의어

4-[Bis(4-methylphenyl)amino]benzaldehydeEINECS 255-996-1Benzaldehyde, 4-[bis(4-methylphenyl)amino]-DTXSID6068432Benzaldehyde, 4-(bis(4-methylphenyl)amino)-4-[bis(p-tolyl)amino]benzaldehyde4-(Bis(p-tolyl)amino)benzaldehyde4-(Bis(4-methylphenyl)amino)benzaldehydeRefChem:515278DTXCID4040189255-996-142906-19-4

이름 더 보기

4-DI-P-TO4-DI-P-TOLYAMINOBENALDEHYDE4-dimethylamine benzaldehyde4-(Di-p-Tlylamino)benzaldehyde(4-(Di-p-tolyamino)benzaldehyde)4-(Di-p-tolylamino)benzaldehyde>4,4'-(Di-p-tolylamino)benzaldehydep-[N,N-Di-p-tolylamino]benzaldehyde

4-Di-p-tolylamino-benzaldehyde4-(Di-p-tolyl-amino)-benzaldehyde4-(Di-p-tolylamino)benzaldehydeMFCD030932574-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde4-Formyl-4',4''-dimethyltriphenylamine4-[4-methyl-N-(p-tolyl)anilino]benzaldehydeSCHEMBL339173

데이터베이스 식별자

CAS: 42906-19-4
PubChem CID: 170701
DTXSID: DTXSID6068432
EC Number: 255-996-1
Nikkaji: J134.871J

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 109 °C · 109 °C
끓는 점: 470.5 · 470.5±45.0 °C(Predicted)
밀도: 1.138 · 1.138±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: almost transparency in hot Acetonitrile
물리적 상태: powder to crystal
산도 계수 (pKa): -4.76 · -4.76±0.50(Predicted)
색상: Light yellow to Amber to Dark green
InChI: InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3
InChIKey: XCGLXUJEPIVZJM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(N(C2=CC=C(C)C=C2)C2=CC=C(C)C=C2)C=C1
EPA: 4 · Benzaldehyde, 4-[bis(4-methylphenyl)amino]- (42906-19-4)

화학적 성질

Light yellow - yellow-green powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

tsca: TSCA listed
HS 번호: 2922.39.4500

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-[bis(4-methylphenyl)amino]-: INACTIVE

응용 분야 · 1건

용도Smart materials with tunable multiple-color emissions have been widely investigated in the fields of bioimaging, display, and information encryption. Multicolor emissive molecules with hydrazone bridged triphenylamines and pyridinium groups can be produced from 4-Di-p-tolylamino-benzaldehyde.4-Di-p-tolylamino-benzaldehyde (0.603 g, 2 mmol) and 2-Hydrazinopyridine (0.442 g, 4 mmol) were stirred in 15 mL methanol at 90 °C for 24 h. After cooling to room temperature, the yellow crude product is extracted and filtered directly. Then yellow rod-like crystals were obtained by recrystallization in ethanol[1].